A phase-field model coupled with large Elasto-plastic deformation

Application to Lithiated silicon electrodes

L. Chen, F. Fan, L. Hong, J. Chen, Y. Z. Ji, Sulin Zhang, T. Zhu, Long-qing Chen

Research output: Contribution to journalArticle

46 Citations (Scopus)

Abstract

A phase-field model, accounting for large elasto-plastic deformation, is developed to study the evolution of phase, morphology and stress in crystalline silicon (Si) electrodes upon lithium (Li) insertion. The Li concentration profiles and deformation geometries are co-evolved by solving a set of coupled phase-field and mechanics equations using the finite element method. The present phase-field model is validated in comparison with a non-linear concentration-dependent diffusion model of lithiation in Si electrodes. It is shown that as the lithiation proceeds, the hoop stress changes from the initial compression to tension in the surface layer of the Si electrode, which may explain the surface cracking observed in experiments. The present phase-field model is generally applicable to high-capacity electrode systems undergoing both phase change and large elasto-plastic deformation.

Original languageEnglish (US)
Pages (from-to)F3164-F3172
JournalJournal of the Electrochemical Society
Volume161
Issue number11
DOIs
StatePublished - Jan 1 2014

Fingerprint

Silicon
plastic deformation
Plastic deformation
Electrodes
electrodes
silicon
Lithium
lithium
hoops
insertion
surface layers
Mechanics
finite element method
Crystalline materials
Finite element method
Geometry
profiles
geometry
Experiments

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Renewable Energy, Sustainability and the Environment
  • Surfaces, Coatings and Films
  • Electrochemistry
  • Materials Chemistry

Cite this

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abstract = "A phase-field model, accounting for large elasto-plastic deformation, is developed to study the evolution of phase, morphology and stress in crystalline silicon (Si) electrodes upon lithium (Li) insertion. The Li concentration profiles and deformation geometries are co-evolved by solving a set of coupled phase-field and mechanics equations using the finite element method. The present phase-field model is validated in comparison with a non-linear concentration-dependent diffusion model of lithiation in Si electrodes. It is shown that as the lithiation proceeds, the hoop stress changes from the initial compression to tension in the surface layer of the Si electrode, which may explain the surface cracking observed in experiments. The present phase-field model is generally applicable to high-capacity electrode systems undergoing both phase change and large elasto-plastic deformation.",
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A phase-field model coupled with large Elasto-plastic deformation : Application to Lithiated silicon electrodes. / Chen, L.; Fan, F.; Hong, L.; Chen, J.; Ji, Y. Z.; Zhang, Sulin; Zhu, T.; Chen, Long-qing.

In: Journal of the Electrochemical Society, Vol. 161, No. 11, 01.01.2014, p. F3164-F3172.

Research output: Contribution to journalArticle

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AU - Chen, Long-qing

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